SCHEMBL9710876

SCHEMBL9710876

CCOC(=O)C(C)Oc1cc(-n2c(C#N)c3n(c2=O)CCCC3)c(F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPOX P50336 5/20 0.54
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DHODH Q02127 10/20 0.36
RXFP1 Q9HBX9 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9710733 0.86 PPOX (0.53) PPOXTSHRNPSR1KDM4EALDH1A1
SCHEMBL9710833 0.85 PPOX (0.41) PPOXDHODH
SCHEMBL9723119 0.84 PDE3B (0.42) TSHRNPSR1KDM4EALDH1A1MAPT
SCHEMBL9710681 0.84 PPOX (0.39) PPOXDHODH
SCHEMBL9710796 0.82 PPOX (0.55) PPOXTSHRNPSR1KDM4EALDH1A1
SCHEMBL9710798 0.82 PPOX (0.44) PPOXTSHRNPSR1KDM4EALDH1A1
SCHEMBL9710809 0.81 PPOX (0.44) PPOXTSHRNPSR1KDM4EALDH1A1
SCHEMBL9710626 0.81 PPOX (0.38) PPOXDHODH
SCHEMBL9710791 0.80 PPOX (0.55) PPOXTSHRNPSR1KDM4EALDH1A1
SCHEMBL9710784 0.80 PPOX (0.39) PPOXDHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed
US-5153316-A Post and preemergence herbicides DOWELANCO 1992-10-06 US disclosed